(phenylmethyl) 2-[4-[(2-methyl-2-oxidanyl-propanoyl)amino]-2-methylsulfanyl-phenyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-[(2-methyl-2-oxidanyl-propanoyl)amino]-2-methylsulfanyl-phenyl]piperidine-1-carboxylate Openeye Name: benzyl 2-[4-[(2-hydroxy-2-methyl-propanoyl)amino]-2-methylsulfanyl-phenyl]piperidine-1-carboxylate CAS Name: 2-[4-[(2-hydroxy-2-methyl-1-oxopropyl)amino]-2-(methylthio)phenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(2-hydroxy-2-methylpropanoyl)amino]-2-methylsulfanylphenyl]piperidine-1-carboxylate Traditional Name: 2-[4-[(2-hydroxy-2-methyl-propanoyl)amino]-2-(methylthio)phenyl]piperidine-1-carboxylic acid benzyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=C(C=C1)C2CCCCN2C(=O)OCC3=CC=CC=C3)SC)O

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=C(C=C1)C2CCCCN2C(=O)OCC3=CC=CC=C3)SC)O

InChI

InChI=1S/C24H30N2O4S/c1-24(2,29)22(27)25-18-12-13-19(21(15-18)31-3)20-11-7-8-14-26(20)23(28)30-16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15,20,29H,7-8,11,14,16H2,1-3H3,(H,25,27)